SCHEMBL2635388

SCHEMBL2635388

CCCCCCc1ccc(-c2ccc(CNCCCO[PH](=O)OCCCNCc3ccc(-c4ccc(CCCCCC)cc4)c(-c4cccs4)n3)nc2-c2cccs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 13/20 0.45
ALOX15B O15296 1/20 0.39
ALOX12 P18054 1/20 0.39
S1PR1 P21453 6/20 0.37
S1PR2 O95136 5/20 0.37
LPAR2 Q9HBW0 3/20 0.37
S1PR4 O95977 2/20 0.34
S1PR5 Q9H228 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL36206 0.84 S1PR3 (0.66) S1PR3S1PR1S1PR2LPAR2S1PR4
SCHEMBL14642670 0.77 S1PR3 (0.46) S1PR3S1PR1S1PR2LPAR2S1PR4
SCHEMBL17060880 0.74 SLC2A1 (0.46) S1PR3S1PR1S1PR2LPAR2S1PR4
SCHEMBL35846 0.74 S1PR3 (0.67) S1PR3S1PR1S1PR2LPAR2S1PR4
SCHEMBL15042602 0.73 HDAC1 (0.36) S1PR3S1PR1S1PR5
SCHEMBL36218 0.72 S1PR3 (0.55) S1PR3S1PR1S1PR2LPAR2S1PR4
SCHEMBL14642772 0.72 S1PR3 (0.40) S1PR3S1PR1S1PR2LPAR2S1PR4
SCHEMBL36337 0.70 S1PR3 (0.87) S1PR3S1PR1S1PR2LPAR2S1PR4
SCHEMBL36013 0.69 S1PR3 (0.63) S1PR3S1PR1S1PR2LPAR2S1PR4
SCHEMBL35848 0.69 S1PR3 (0.63) S1PR3S1PR1S1PR2LPAR2S1PR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569322-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY Allergan, Inc. (US) 2013-03-20 EP claimed
WO-2011143332-A1 AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY ALLERGAN, INC. (US) 2011-11-17 WO claimed